3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine

C12H19BrN2 — CID 106875484

IUPAC3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
SMILESCc1ccnc(NC(C)CC(C)C)c1Br
InChIInChI=1S/C12H19BrN2/c1-8(2)7-10(4)15-12-11(13)9(3)5-6-14-12/h5-6,8,10H,7H2,1-4H3,(H,14,15)
InChIKeyIFPJHEBWDKMHFS-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.00
Rot. Bonds4

About 3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine

3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine (PubChem CID 106875484) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
PubChem CID106875484
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
SMILESCc1ccnc(NC(C)CC(C)C)c1Br
InChIInChI=1S/C12H19BrN2/c1-8(2)7-10(4)15-12-11(13)9(3)5-6-14-12/h5-6,8,10H,7H2,1-4H3,(H,14,15)
InChIKeyIFPJHEBWDKMHFS-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-N-pent-4-en-2-ylpyridin-2-amine
CID 106875917
3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 106875473
3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine
CID 106875617
3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 106875596
3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine
CID 106875908
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
CID 106875615
3-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 106875494
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine
CID 171819697
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
2-methyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 62785872

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine (CID 106875484) is 3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine is Cc1ccnc(NC(C)CC(C)C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine?
The InChIKey is IFPJHEBWDKMHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-8(2)7-10(4)15-12-11(13)9(3)5-6-14-12/h5-6,8,10H,7H2,1-4H3,(H,14,15).
What are the key properties of 3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine?
3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine is sourced from PubChem (CID 106875484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).